SCHEMBL6956078

SCHEMBL6956078

O=C1C(=Cc2ccc3c(c2)OCO3)CCc2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 7/20 0.72
MAPT P10636 8/20 0.65
ALDH1A1 P00352 5/20 0.65
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
PKM P14618 4/20 0.65
MAPK1 P28482 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
HPGD P15428 2/20 0.65
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
KDM4E B2RXH2 1/20 0.65
TP53 P04637 1/20 0.65
GAA P10253 1/20 0.65
ALOX15 P16050 1/20 0.65
CASP1 P29466 1/20 0.65
MPI P34949 1/20 0.65
HTT P42858 1/20 0.65
CASP7 P55210 1/20 0.65
HSD17B10 Q99714 1/20 0.65

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8546817 1.00 MIF (0.72) MIFMAPTALDH1A1MEN1KMT2A
SCHEMBL5725216 0.84 MIF (1.00) MIFMAPTALDH1A1MEN1KMT2A
SCHEMBL25843203 0.83 MAOB (0.68) MIFMAPTALDH1A1MEN1KMT2A
SCHEMBL8548971 0.81 MAOB (0.65) MIFMAPTALDH1A1MEN1KMT2A
SCHEMBL8548968 0.81 MAOB (0.65) MIFMAPTALDH1A1MEN1KMT2A
SCHEMBL13203410 0.80 MAOB (0.81) MIFMAPTALDH1A1MEN1KMT2A
SCHEMBL31432619 0.79 MAPT (1.00) MIFMAPTALDH1A1MEN1KMT2A
SCHEMBL1524042 0.78 ALDH1A1 (0.71) MIFMAPTALDH1A1MEN1KMT2A
SCHEMBL8545740 0.78 MAOB (0.69) MIFMAPTALDH1A1MEN1KMT2A
SCHEMBL12948681 0.78 SMN1; SMN2 (0.84) MIFMAPTALDH1A1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1023063-B1 INDENO[1,2-c], NAPHTHO[1,2-c]- AND BENZO[6,7]CYCLOHEPTA[1,2-c]PYRAZOLE DERIVATIVES ABBOTT GMBH & CO KG (DE) 2003-09-10 EP disclosed
US-6451834-B1 Indeno[1,2-c]-, naphtho[1,2-c]- and benzo[6,7]cyclohepta[1,2-c]pyrazole derivatives BASF AKTIENGESELLSCHAFT (DE) 2002-09-17 US disclosed
EP-0557075-B1 4H-naphtho 1,2-b pyran derivatives as antiproliferative agents LILLY CO ELI (GB) 1998-06-24 EP disclosed
US-5663375-A CELL PROLIFERATION ELI LILLY AND COMPANY (US) 1997-09-02 US disclosed
US-5622987-A PREVENT MIGRATION OR PROLIFERATION OF SMOOTH MUSCLE CELLS ELI LILLY AND COMPANY (US) 1997-04-22 US disclosed
US-5576325-A TREATMENT OF IMMUNE DISEASES, RESTENOSIS, ENZYME INHIBITORS AND ANTISPASMODIC AGENTS LILLY INDUSTRIES LIMITED (GB) 1996-11-19 US disclosed
US-5378699-A Treatment of immune diseases, cell proliferation, restenosis and smooth muscle cells LILLY INDUSTRIES LIMITED (GB) 1995-01-03 US disclosed
US-5378717-A Therapy for diabetic complications ELI LILLY AND COMPANY (US) 1995-01-03 US disclosed
EP-0557075-A1 4H-naphtho 1,2-b pyran derivatives as antiproliferative agents LILLY INDUSTRIES LIMITED (GB) 1993-08-25 EP disclosed